Base information
| Cat. No. | |
| CAS No. | 81938-43-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H25CaNO4S2 |
| Molecular Weight | 471.646 |
| Exact Mass | 471.085 |
| XLogP3 | 4.2054 |
| Mr | 122.818 |
| PSA | 125.28 |
| Sequence | - |
| Atom number | 55 |
| Bond number | 56 |
| Ring number | 3 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | O=C(N1C[C@H](C[C@H]1C(=O)O)Sc1ccccc1)[C@@H](CSC(=O)c1ccccc1)C.[CaH2] |
